SCHEMBL15729641

SCHEMBL15729641

CC(C)(C)OC(=O)NCc1ccc(C(N)=O)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.53
EPHX2 P34913 1/20 0.49
NR1H4 Q96RI1 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.44
NAMPT P43490 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
HDAC1 Q13547 2/20 0.42
AURKA O14965 2/20 0.41
RPS6KB1 P23443 2/20 0.41
GAA P10253 1/20 0.41
KDM4A O75164 1/20 0.41
DGAT1 O75907 1/20 0.41
TSHR P16473 1/20 0.40
GLS O94925 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16491963 0.90 GRM2 (0.48) GRM2EPHX2NR1H4L3MBTL1NAMPT
SCHEMBL8249395 0.90 GRM2 (0.53) GRM2EPHX2NR1H4L3MBTL1NAMPT
SCHEMBL1244785 0.89 NR1H4 (0.61) GRM2EPHX2NR1H4L3MBTL1NAMPT
SCHEMBL18300585 0.88 GRM2 (0.47) GRM2EPHX2NR1H4L3MBTL1NAMPT
SCHEMBL18300586 0.88 GRM2 (0.47) GRM2EPHX2NR1H4L3MBTL1NAMPT
SCHEMBL16489287 0.88 GRM2 (0.47) GRM2EPHX2NR1H4L3MBTL1NAMPT
SCHEMBL1169112 0.87 EPHX2 (0.49) GRM2EPHX2NR1H4L3MBTL1NAMPT
SCHEMBL23833048 0.86 EPHX2 (0.48) GRM2EPHX2NR1H4L3MBTL1NAMPT
SCHEMBL15729350 0.86 NR1H4 (0.54) GRM2EPHX2NR1H4L3MBTL1NAMPT
SCHEMBL24999627 0.85 GRM2 (0.49) GRM2EPHX2NR1H4L3MBTL1NAMPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2921480-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-10-11 EP disclosed
EP-2921480-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-10-11 EP disclosed
US-9777005-B2 Bicyclic heterocyclic compound containing a substituted pyrrole ring TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-03 US disclosed
US-9777005-B2 Bicyclic heterocyclic compound containing a substituted pyrrole ring TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-03 US disclosed
US-9777005-B2 Bicyclic heterocyclic compound containing a substituted pyrrole ring TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-03 US disclosed
US-9732086-B2 2017-08-15 US disclosed
US-9732086-B2 2017-08-15 US disclosed
US-9732086-B2 2017-08-15 US disclosed
US-20150307497-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-29 US disclosed
US-20150307497-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-29 US disclosed
US-20150307497-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-29 US disclosed
EP-2921480-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-09-23 EP disclosed
EP-2921480-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-09-23 EP disclosed
WO-2014077401-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2014-05-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150307497-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM2, CHRM4 GRM2 234/4885EPHX2 3190/4885NR1H4 189/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.